Rat catechol O-methyltransferase in complex with a catechol-type, trifluoromethyl-imidazolyl-containing inhibitor - humanized form
The structure was published by Ellermann, M., Paulini, R., Jakob-Roetne, R., et al., Schlatter, D., Rudolph, M.G., and Diederich, F., in 2011 in a paper entitled "Molecular Recognition at the Active Site of Catechol-O-methyltransferase (COMT): Adenine Replacements in Bisubstrate Inhibitors" (abstract).
This crystal structure was determined using X-ray diffraction at a resolution of 1.44 Å and deposited in 2010.
The experimental data on which the structure is based was also deposited.
The PDB entry contains the structure of Catechol O-methyltransferase. This molecule has the UniProt identifier P22734 (COMT_RAT). The sample contained 221 residues which is < 90% of the natural sequence. Out of 221 residues 213 were observed and are deposited in the PDB.
It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.
The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.
The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):
This entry contains 1 unique UniProt protein: